Q27

7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine

Created:	2011-07-26
Last modified:	2011-07-26

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1 entries where Q27 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	22

2D diagram of Q27

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Chemical Component Summary
Name	7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	7-(2-ethoxynaphthalen-1-yl)-6-methyl-quinazoline-2,4-diamine
Formula	C₂₁ H₂₀ N₄ O
Molecular Weight	344.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c1c(cc(c(c1)c3c2ccccc2ccc3OCC)C)c(nc4N)N
SMILES	CACTVS	3.370	CCOc1ccc2ccccc2c1c3cc4nc(N)nc(N)c4cc3C
SMILES	OpenEye OEToolkits	1.7.2	CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N
Canonical SMILES	CACTVS	3.370	CCOc1ccc2ccccc2c1c3cc4nc(N)nc(N)c4cc3C
Canonical SMILES	OpenEye OEToolkits	1.7.2	CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N
InChI	InChI	1.03	InChI=1S/C21H20N4O/c1-3-26-18-9-8-13-6-4-5-7-14(13)19(18)15-11-17-16(10-12(15)2)20(22)25-21(23)24-17/h4-11H,3H2,1-2H3,(H4,22,23,24,25)
InChIKey	InChI	1.03	DYQBRXOQGFCHCN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1818128
PubChem	53346511
ChEMBL	CHEMBL1818128

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.